Molecule ( self )

Molecule() -> Molecule

Molecule constructor documentation.

__hash__ ( self )

arguments/return value unknown

hash instance

addAssociatedModel ( self,  model )

addAssociatedModel(Model* model)

addAssociatedModel documentation.

allRings (
        self,
        crossResidues,
        allSizeThreshold,
        )

allRings(bool crossResidues, int allSizeThreshold) -> std::set<Ring>

allRings documentation.

associatedModels ( self )

associatedModels() -> std::vector<Model*>

associatedModels documentation.

atomGroups ( self,  numAtoms )

atomGroups(int numAtoms) -> std::vector<Molecule::AtomGroup>

atomGroups documentation.

bbox ( self )

bbox() -> bool, otf::Geom3d::BBox

bbox documentation.

computeIdatmTypes ( self )

computeIdatmTypes()

computeIdatmTypes documentation.

computeSecondaryStructure (
        self,
        energyCutoff,
        minHelixLength,
        minStrandLength,
        )

computeSecondaryStructure(float energyCutoff, int minHelixLength, int minStrandLength)

computeSecondaryStructure documentation.

deleteAtom ( self,  element )

deleteAtom(Atom* element)

deleteAtom documentation.

deleteBond ( self,  element )

deleteBond(Bond* element)

deleteBond documentation.

deleteCoordSet ( self,  element )

deleteCoordSet(CoordSet* element)

deleteCoordSet documentation.

deleteResidue ( self,  element )

deleteResidue(Residue* element)

deleteResidue documentation.

destroy ( self )

destroy()

destroy documentation.

findCoordSet ( self,  csi )

findCoordSet(int csi) -> CoordSet*

findCoordSet documentation.

findResidue ( self,  ri )

findResidue(int ri) -> Residue* findResidue(otf::MolResId id, char* type) -> Residue*

findResidue documentation.

idatmValid ( self )

idatmValid() -> bool

idatmValid documentation.

invalidateIdatm ( self )

invalidateIdatm()

invalidateIdatm documentation.

minimumRings ( self,  crossResidues )

minimumRings(bool crossResidues) -> std::set<Ring>

minimumRings documentation.

moveResAfter (
        self,
        from_,
        to,
        )

moveResAfter(Residue* from, Residue* to)

moveResAfter documentation.

newAtom (
        self,
        n,
        element,
        )

newAtom(otf::Symbol n, otf::Element element) -> Atom*

newAtom documentation.

newBond (
        self,
        a0,
        a1,
        )

newBond(Atom* a0, Atom* a1) -> Bond* newBond(Atom* a0, Atom* a1, float o) -> Bond*

newBond documentation.

newCoordSet ( self,  k )

newCoordSet(int k) -> CoordSet* newCoordSet(int k, int size) -> CoordSet*

newCoordSet documentation.

newResidue (
        self,
        t,
        rid,
        )

newResidue(otf::Symbol t, otf::MolResId rid) -> Residue* newResidue(otf::Symbol t, otf::Symbol chain, int pos, char insert) -> Residue*

newResidue documentation.

oslChildren ( self )

oslChildren() -> std::vector<Selectable*>

oslChildren documentation.

oslIdent (
        self,
        start,
        end,
        )

oslIdent(enum Selector start, enum Selector end) -> std::string

oslIdent documentation.

oslLevel ( self )

oslLevel() -> enum Selector

oslLevel documentation.

oslParents ( self )

oslParents() -> std::vector<Selectable*>

oslParents documentation.

oslTestAbbr ( self,  a )

oslTestAbbr(OSLAbbreviation* a) -> bool

oslTestAbbr documentation.

printComponents ( self )

printComponents()

printComponents documentation.

pseudoBondMgr ( self,  cs )

pseudoBondMgr(CoordSet* cs) -> PseudoBondMgr*

pseudoBondMgr documentation.

removeAssociatedModel ( self,  model )

removeAssociatedModel(Model* model)

removeAssociatedModel documentation.

rootForAtom (
        self,
        a,
        ignoreBreakPoints,
        )

rootForAtom(Atom* a, bool ignoreBreakPoints) -> Root*

rootForAtom documentation.

roots ( self,  ignoreBreakPoints )

roots(bool ignoreBreakPoints) -> std::vector<Root>

roots documentation.

traverseAtoms ( self,  root )

traverseAtoms(Root* root) -> std::pair<Molecule::Atoms::const_iterator,Molecule::Atoms::const_iterator>

traverseAtoms documentation.

traverseBonds ( self,  root )

traverseBonds(Root* root) -> std::pair<Molecule::Bonds::const_iterator,Molecule::Bonds::const_iterator>

traverseBonds documentation.

updateRibbonData ( self )

updateRibbonData()

updateRibbonData documentation.

useAsRoot ( self,  newRoot )

useAsRoot(Atom* newRoot)

useAsRoot documentation.